22319026 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 8 8 9 10 11 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 24 24 25 25 26 7 7 10 11 12 25 13 39 40 7 8 9 9 10 12 13 14 27 28 15 16 19 17 18 29 21 30 22 31 20 32 20 33 24 34 35 23 36 23 37 38 26 41 26 42 43 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 3.732 5.4641 7.1962 4.5981 4.5981 6.3301 4.5981 3.732 5.4641 6.3301 5.4641 7.1962 3.732 2.866 6.3301 4.5981 2.866 2 8.0622 2 6.3301 4.5981 5.4641 8.9282 8.0622 8.9282 5.4641 6.8671 2.866 6.8671 4.0611 2.866 1.4631 8.0622 1.4631 6.8671 4.0611 5.4641 4.5981 5.135 9.4651 8.0622 9.4651 -0.56 -0.56 2.44 2.94 0.94 0.94 -0.06 1.44 1.44 -0.06 -1.56 1.44 2.44 0.94 -2.06 -2.06 2.94 1.44 0.94 2.44 -3.06 -3.06 -3.56 1.44 2.94 2.44 2.06 -0.37 0.32 -1.75 -1.75 3.56 1.13 0.32 2.75 -3.37 -3.37 -4.18 3.56 2.63 1.13 3.56 2.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 6 8 8 11 11 12 13 14 15 16 17 18 19 21 22 24 25 7 10 12 25 7 9 9 10 13 14 15 16 19 17 18 21 22 20 20 24 23 23 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 576 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C608100000000000001D000001E00100000000C08C19E043CC093481000A8033577540082802031022008D8213864D80820F2C09591842008609600C8C9871C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminophenyl)-1-phenyl-5-(2-pyridyl)pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminophenyl)-1-phenyl-5-(2-pyridinyl)-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminophenyl)-1-phenyl-5-pyridin-2-yl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminophenyl)-1-phenyl-5-(2-pyridyl)-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H17N3O/c23-20-11-5-4-10-18(20)19-14-16(21-12-6-7-13-24-21)15-25(22(19)26)17-8-2-1-3-9-17/h1-15H,23H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QSSBULVYXONWDD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 339.137162174 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H17N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 339.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3N)C4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3N)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 339.137162174 26 0 0 0 0 0 0 0 1 -1